Geometry & MOs

Info

ID:	375427
PubChem CID:	131529634
Reduced:	BrFNOH9C10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	249.022642
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	1.98
IP(EA), eV:	-9.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-hydroxypropyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1F)Br)C#N

DOS

IR

Vibrations